==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE ACTIVATOR 11-JUL-06 2IY0 . COMPND 2 MOLECULE: SENTRIN-SPECIFIC PROTEASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.SHEN,C.DONG,J.H.NAISMITH . 458 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 29 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 2 1 1 1 0 2 3 1 2 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 419 A E 0 0 222 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 58.0 22.8 -38.5 -21.7 2 420 A F - 0 0 84 1,-0.1 2,-0.1 224,-0.1 224,-0.0 0.636 360.0-133.4 20.7 96.0 22.9 -34.6 -22.1 3 421 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 223,-0.0 -0.439 31.9-104.1 -68.0 143.4 23.2 -33.3 -25.6 4 422 A E - 0 0 160 -2,-0.1 2,-1.2 1,-0.1 5,-0.1 -0.275 19.6-114.6 -71.3 148.8 25.8 -30.6 -26.1 5 423 A I - 0 0 43 4,-0.1 -1,-0.1 3,-0.0 210,-0.0 -0.757 46.8-155.6 -76.1 98.2 25.2 -26.9 -26.5 6 424 A T > - 0 0 70 -2,-1.2 4,-2.9 1,-0.1 5,-0.1 -0.096 27.7 -95.0 -69.9 173.2 26.5 -26.7 -30.1 7 425 A E H > S+ 0 0 147 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.932 125.7 42.5 -59.6 -49.0 27.9 -23.6 -31.8 8 426 A E H > S+ 0 0 137 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.795 111.9 55.2 -71.4 -25.4 24.6 -22.5 -33.4 9 427 A M H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.951 109.0 50.1 -65.2 -44.7 22.8 -23.4 -30.2 10 428 A E H X S+ 0 0 74 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.923 107.0 52.4 -53.4 -52.5 25.2 -21.0 -28.6 11 429 A K H X S+ 0 0 135 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.907 108.7 50.5 -54.3 -48.2 24.7 -18.1 -31.0 12 430 A E H X S+ 0 0 52 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.909 113.0 45.9 -55.3 -50.2 20.9 -18.2 -30.5 13 431 A I H X S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.948 110.8 51.2 -59.7 -53.2 21.3 -18.1 -26.7 14 432 A K H X S+ 0 0 130 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.818 108.4 55.7 -58.1 -33.1 23.8 -15.3 -26.7 15 433 A N H < S+ 0 0 60 -4,-2.0 3,-0.4 -5,-0.3 -1,-0.2 0.963 107.8 44.2 -62.7 -55.6 21.5 -13.3 -29.0 16 434 A V H < S+ 0 0 14 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.752 110.0 59.1 -65.7 -22.8 18.5 -13.4 -26.7 17 435 A F H < S+ 0 0 23 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.863 85.9 95.2 -71.4 -37.5 20.7 -12.6 -23.8 18 436 A R S < S- 0 0 135 -4,-1.5 2,-0.1 -3,-0.4 22,-0.0 -0.111 89.0-100.6 -46.9 149.1 21.9 -9.3 -25.3 19 437 A N + 0 0 147 1,-0.1 2,-0.2 21,-0.0 -1,-0.1 -0.462 68.8 112.5 -74.5 151.8 20.0 -6.2 -24.2 20 438 A G S S- 0 0 47 -2,-0.1 2,-1.0 -3,-0.1 -1,-0.1 -0.798 73.8 -2.3-179.1-140.5 17.3 -4.9 -26.5 21 439 A N > - 0 0 104 -2,-0.2 3,-2.7 1,-0.2 15,-0.5 -0.694 57.0-162.3 -79.6 103.3 13.5 -4.6 -26.4 22 440 A Q T 3 S+ 0 0 71 -2,-1.0 15,-2.0 1,-0.3 16,-0.3 0.653 91.7 53.3 -63.4 -16.7 12.7 -6.3 -23.1 23 441 A D T 3 S+ 0 0 86 13,-0.2 -1,-0.3 12,-0.2 2,-0.2 0.360 79.9 126.5 -95.8 2.3 9.1 -6.6 -24.2 24 442 A E < - 0 0 86 -3,-2.7 12,-1.6 1,-0.1 2,-0.6 -0.445 64.5-125.9 -61.9 125.6 10.3 -8.3 -27.5 25 443 A V E +A 35 0A 80 10,-0.2 10,-0.2 -2,-0.2 3,-0.1 -0.672 36.5 168.7 -81.3 120.1 8.4 -11.6 -27.8 26 444 A L E + 0 0 32 8,-3.6 2,-0.3 -2,-0.6 9,-0.2 0.758 65.6 16.8-101.2 -33.7 10.9 -14.4 -28.3 27 445 A S E -A 34 0A 3 7,-1.2 7,-2.2 2,-0.1 2,-0.4 -0.997 62.4-171.0-143.9 141.6 8.7 -17.5 -27.9 28 446 A E E +A 33 0A 130 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.957 25.0 120.4-141.6 122.0 5.0 -18.0 -27.9 29 447 A A E > +A 32 0A 22 3,-0.9 3,-2.5 -2,-0.4 29,-0.1 -0.954 63.2 34.1-159.8 170.0 2.8 -21.0 -27.1 30 448 A F T 3 S- 0 0 64 1,-0.3 3,-0.1 -2,-0.3 28,-0.0 0.695 127.8 -68.3 58.4 23.4 -0.0 -22.0 -24.7 31 449 A R T 3 S+ 0 0 107 1,-0.3 -1,-0.3 246,-0.0 2,-0.3 0.900 111.6 124.9 49.7 43.5 -1.3 -18.4 -25.1 32 450 A L E < -A 29 0A 16 -3,-2.5 -3,-0.9 246,-0.0 2,-0.4 -0.859 51.1-144.7-122.7 166.5 1.8 -17.4 -23.2 33 451 A T E -A 28 0A 45 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.990 5.3-159.7-138.3 132.4 4.6 -15.1 -24.1 34 452 A I E -A 27 0A 1 -7,-2.2 -8,-3.6 -2,-0.4 -7,-1.2 -0.953 20.1-168.5-116.7 108.6 8.4 -15.2 -23.4 35 453 A T E > -A 25 0A 14 -2,-0.6 4,-2.2 -10,-0.2 3,-0.3 -0.521 39.8-102.9 -93.7 162.0 10.0 -11.7 -23.7 36 454 A R H > S+ 0 0 24 -12,-1.6 4,-1.2 -15,-0.5 -14,-0.2 0.841 124.1 57.5 -48.8 -35.0 13.7 -10.8 -23.8 37 455 A K H > S+ 0 0 35 -15,-2.0 4,-0.5 2,-0.2 3,-0.4 0.935 106.2 45.8 -61.8 -50.4 13.2 -9.8 -20.1 38 456 A D H >4 S+ 0 0 1 -3,-0.3 3,-1.2 -16,-0.3 11,-0.3 0.892 110.8 53.6 -61.1 -42.6 11.9 -13.2 -19.0 39 457 A I H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.795 97.7 65.8 -62.6 -29.4 14.7 -15.0 -20.9 40 458 A Q H >< S+ 0 0 45 -4,-1.2 3,-2.0 -3,-0.4 -1,-0.2 0.717 84.4 72.8 -69.0 -21.8 17.3 -12.9 -19.1 41 459 A T T << S+ 0 0 8 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.596 91.6 58.8 -70.4 -10.0 16.4 -14.5 -15.8 42 460 A L T < S+ 0 0 2 -3,-1.6 -1,-0.3 -4,-0.2 2,-0.2 0.370 86.2 106.8 -93.3 2.2 18.2 -17.6 -17.1 43 461 A N S X S- 0 0 21 -3,-2.0 3,-2.9 4,-0.1 -3,-0.0 -0.584 92.8 -34.9 -87.7 143.6 21.4 -15.6 -17.5 44 462 A H T 3 S- 0 0 148 1,-0.3 169,-0.1 -2,-0.2 -3,-0.0 -0.180 123.2 -32.2 44.3-129.2 24.3 -16.1 -15.1 45 463 A L T 3 S+ 0 0 93 2,-0.0 -1,-0.3 168,-0.0 -2,-0.1 -0.015 93.0 151.6-108.0 29.2 22.8 -16.8 -11.7 46 464 A N < - 0 0 54 -3,-2.9 2,-0.3 -6,-0.2 137,-0.0 -0.300 53.6-108.0 -56.7 140.8 19.8 -14.6 -12.3 47 465 A W - 0 0 15 1,-0.1 256,-0.2 139,-0.1 2,-0.2 -0.578 36.4-120.0 -70.5 131.5 16.7 -15.7 -10.3 48 466 A L E -B 302 0B 0 254,-0.7 254,-1.1 135,-0.4 2,-0.1 -0.541 26.8-139.0 -77.0 142.8 14.1 -17.2 -12.7 49 467 A N E > -B 301 0B 0 -11,-0.3 4,-1.4 -2,-0.2 252,-0.2 -0.231 27.3 -96.2 -90.3-177.7 10.7 -15.5 -12.9 50 468 A D H > S+ 0 0 0 250,-1.1 4,-3.0 2,-0.2 5,-0.4 0.837 118.3 61.2 -68.0 -35.6 7.1 -17.0 -13.0 51 469 A E H > S+ 0 0 8 1,-0.2 4,-2.5 249,-0.2 5,-0.2 0.947 104.8 47.0 -59.6 -51.5 7.0 -16.7 -16.8 52 470 A I H > S+ 0 0 0 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.926 116.7 45.8 -51.3 -47.9 9.9 -19.0 -17.4 53 471 A I H X S+ 0 0 1 -4,-1.4 4,-3.4 2,-0.2 5,-0.2 0.974 113.6 43.8 -68.8 -56.9 8.5 -21.5 -14.9 54 472 A N H X S+ 0 0 6 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.928 116.0 52.1 -52.2 -44.7 4.8 -21.6 -16.1 55 473 A F H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.4 -2,-0.2 0.971 112.9 42.4 -55.1 -58.5 6.1 -21.7 -19.6 56 474 A Y H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 3,-0.3 0.907 112.8 53.4 -55.2 -45.5 8.4 -24.7 -18.9 57 475 A M H X S+ 0 0 1 -4,-3.4 4,-1.8 1,-0.3 -1,-0.2 0.926 107.6 51.4 -59.1 -44.5 5.7 -26.4 -16.9 58 476 A N H X S+ 0 0 38 -4,-3.1 4,-2.0 -5,-0.2 -1,-0.3 0.826 107.8 53.6 -57.1 -34.0 3.3 -26.0 -19.8 59 477 A M H X S+ 0 0 5 -4,-1.7 4,-2.2 -3,-0.3 -2,-0.2 0.869 107.1 49.9 -68.9 -38.8 6.0 -27.6 -22.0 60 478 A L H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.857 111.2 51.5 -64.5 -33.3 6.3 -30.6 -19.6 61 479 A M H < S+ 0 0 40 -4,-1.8 11,-0.4 -5,-0.2 -2,-0.2 0.864 109.6 47.6 -71.4 -39.2 2.5 -30.8 -19.9 62 480 A E H >< S+ 0 0 92 -4,-2.0 3,-1.1 1,-0.2 4,-0.2 0.872 111.2 51.3 -70.6 -37.2 2.5 -30.8 -23.7 63 481 A R H >< S+ 0 0 17 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.805 94.0 73.6 -67.2 -29.8 5.3 -33.5 -23.8 64 482 A S T 3< S+ 0 0 11 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.489 81.6 73.8 -68.6 1.2 3.2 -35.7 -21.4 65 483 A K T < S+ 0 0 163 -3,-1.1 -1,-0.3 6,-0.1 -2,-0.2 0.783 74.2 95.4 -81.1 -28.1 0.9 -36.4 -24.3 66 484 A E S X S- 0 0 116 -3,-1.8 3,-1.6 -4,-0.2 -3,-0.0 -0.428 89.8 -89.9 -75.0 138.8 3.4 -38.7 -26.1 67 485 A K T 3 S+ 0 0 187 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.031 107.9 27.9 -57.9 143.4 3.0 -42.5 -25.4 68 486 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.008 98.9 103.3 95.6 -25.0 4.8 -44.1 -22.5 69 487 A L S < S- 0 0 33 -3,-1.6 -1,-0.3 -6,-0.1 2,-0.1 -0.711 79.6-108.7 -95.3 140.9 4.9 -40.9 -20.5 70 488 A P - 0 0 5 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.440 40.8-106.0 -64.8 133.0 2.5 -40.2 -17.6 71 489 A S - 0 0 33 -2,-0.1 34,-2.3 -6,-0.1 2,-0.4 -0.270 41.6-152.4 -54.6 144.6 -0.1 -37.6 -18.4 72 490 A V E -c 105 0C 7 -11,-0.4 2,-0.4 32,-0.2 34,-0.2 -0.989 21.6-175.0-129.2 130.0 0.6 -34.2 -16.7 73 491 A H E -c 106 0C 31 32,-2.6 34,-3.1 -2,-0.4 2,-0.4 -0.947 14.7-165.4-107.2 146.2 -1.4 -31.4 -15.5 74 492 A A E -c 107 0C 9 -2,-0.4 34,-0.2 32,-0.2 2,-0.1 -0.985 9.5-146.0-132.6 122.8 0.5 -28.3 -14.2 75 493 A F - 0 0 10 32,-2.5 2,-0.1 -2,-0.4 -18,-0.0 -0.472 32.7-102.0 -77.9 155.4 -1.0 -25.5 -12.2 76 494 A N > - 0 0 37 -2,-0.1 3,-1.8 1,-0.1 4,-0.5 -0.346 34.6-103.5 -74.1 165.5 0.3 -22.0 -12.7 77 495 A T T 3 S+ 0 0 0 1,-0.3 4,-0.5 -27,-0.2 34,-0.4 0.696 120.3 56.9 -65.7 -20.9 2.7 -20.6 -10.1 78 496 A F T 3> S+ 0 0 5 1,-0.2 4,-1.7 2,-0.1 -1,-0.3 0.557 88.2 81.4 -83.8 -9.6 -0.0 -18.4 -8.6 79 497 A F H <> S+ 0 0 0 -3,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.924 89.6 44.6 -64.5 -50.2 -2.3 -21.4 -7.9 80 498 A F H > S+ 0 0 3 -4,-0.5 4,-2.7 29,-0.5 -1,-0.2 0.915 112.2 50.4 -67.5 -45.0 -0.8 -22.7 -4.6 81 499 A T H > S+ 0 0 35 -4,-0.5 4,-2.6 2,-0.2 5,-0.4 0.954 112.6 47.9 -56.3 -49.9 -0.5 -19.3 -2.9 82 500 A K H X S+ 0 0 36 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.884 113.5 48.1 -60.5 -39.9 -4.1 -18.5 -3.8 83 501 A L H < S+ 0 0 11 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.887 114.4 48.6 -61.2 -39.0 -5.1 -21.9 -2.5 84 502 A K H < S+ 0 0 94 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.919 121.9 25.9 -72.8 -48.3 -3.1 -21.3 0.7 85 503 A T H < S+ 0 0 114 -4,-2.6 -3,-0.2 -5,-0.1 2,-0.2 0.925 126.2 41.7 -89.9 -52.5 -4.1 -17.8 1.9 86 504 A A S < S- 0 0 31 -4,-0.8 5,-0.0 -5,-0.4 0, 0.0 -0.474 102.8 -99.5 -77.7 167.0 -7.6 -17.6 0.3 87 505 A G > - 0 0 47 -2,-0.2 3,-1.1 1,-0.1 -1,-0.2 -0.018 36.6 -89.6 -75.8-173.8 -9.7 -20.8 0.6 88 506 A Y G >> S+ 0 0 14 1,-0.2 3,-2.5 2,-0.2 4,-1.0 0.859 120.5 73.7 -59.3 -37.7 -10.4 -23.5 -1.9 89 507 A Q G 34 S+ 0 0 138 1,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.658 91.5 56.6 -51.9 -19.4 -13.4 -21.4 -3.0 90 508 A A G <4 S+ 0 0 33 -3,-1.1 -1,-0.3 -8,-0.2 -2,-0.2 0.441 113.0 36.8 -97.5 -4.5 -11.0 -19.0 -4.7 91 509 A V T X> S+ 0 0 0 -3,-2.5 3,-1.3 -4,-0.1 4,-0.6 0.416 87.4 98.1-119.8 -3.5 -9.3 -21.5 -7.0 92 510 A K G >< S+ 0 0 50 -4,-1.0 3,-0.7 1,-0.3 -2,-0.1 0.824 82.6 49.7 -61.6 -37.2 -12.2 -23.8 -7.8 93 511 A R G >4 S+ 0 0 130 -4,-0.2 3,-1.4 1,-0.2 -1,-0.3 0.608 93.4 77.9 -78.0 -12.8 -13.0 -22.2 -11.2 94 512 A W G <4 S+ 0 0 31 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.867 95.9 47.4 -61.1 -36.2 -9.4 -22.5 -12.2 95 513 A T G X< S+ 0 0 3 -3,-0.7 3,-1.0 -4,-0.6 2,-0.3 0.042 79.9 120.7-100.8 25.0 -9.9 -26.2 -12.9 96 514 A K T < S+ 0 0 76 -3,-1.4 3,-0.1 177,-0.2 -3,-0.0 -0.678 78.0 29.7 -76.7 145.8 -13.1 -25.8 -14.9 97 515 A K T 3 S+ 0 0 172 -2,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.512 110.1 89.9 75.0 4.9 -12.4 -27.4 -18.3 98 516 A V < - 0 0 50 -3,-1.0 2,-1.4 -25,-0.0 -1,-0.1 -0.938 64.7-153.4-133.9 117.3 -10.0 -29.8 -16.7 99 517 A D > - 0 0 67 -2,-0.4 3,-1.9 1,-0.2 -3,-0.1 -0.720 17.3-169.0 -78.9 92.7 -10.8 -33.2 -15.3 100 518 A V G > S+ 0 0 1 -2,-1.4 3,-0.5 1,-0.3 -1,-0.2 0.684 81.5 56.7 -60.5 -20.0 -7.9 -33.1 -12.8 101 519 A F G 3 S+ 0 0 52 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.572 87.1 77.0 -90.6 -8.6 -8.4 -36.8 -12.0 102 520 A S G < S+ 0 0 79 -3,-1.9 2,-0.3 2,-0.0 -1,-0.2 0.149 89.6 71.4 -87.0 19.5 -8.0 -37.9 -15.6 103 521 A V S < S- 0 0 24 -3,-0.5 20,-0.2 1,-0.1 -31,-0.1 -0.973 70.9-141.3-134.5 153.6 -4.2 -37.5 -15.3 104 522 A D S S+ 0 0 56 -2,-0.3 19,-2.9 -33,-0.2 20,-0.4 0.901 86.2 39.1 -74.7 -45.5 -1.4 -39.4 -13.6 105 523 A I E -cD 72 122C 0 -34,-2.3 -32,-2.6 17,-0.2 2,-0.5 -0.888 55.7-169.1-114.8 136.8 0.6 -36.4 -12.5 106 524 A L E -cD 73 121C 2 15,-2.8 15,-2.2 -2,-0.4 2,-0.5 -0.996 14.9-155.2-114.7 130.2 -0.2 -32.9 -11.2 107 525 A L E -cD 74 120C 0 -34,-3.1 -32,-2.5 -2,-0.5 13,-0.2 -0.903 10.0-174.8-103.4 127.2 2.6 -30.5 -11.0 108 526 A V E - 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I 0 268D 33 -2,-0.4 2,-0.4 -30,-0.2 -30,-0.2 0.060 40.7 -97.4 -28.3 148.1 2.6 -9.8 -8.9 299 93 B E - 0 0 12 -32,-0.7 2,-0.4 -31,-0.1 -1,-0.1 -0.693 46.2-137.1 -69.5 135.4 5.7 -10.8 -10.9 300 94 B Q + 0 0 0 -2,-0.4 -250,-1.1 -3,-0.1 2,-0.4 -0.848 26.3 175.8-105.6 136.7 7.2 -13.7 -9.1 301 95 B T E +B 49 0B 2 -2,-0.4 2,-0.3 138,-0.3 140,-0.2 -0.995 5.2 157.7-141.7 141.1 10.9 -14.1 -8.5 302 96 B G E B 48 0B 0 -254,-1.1 -254,-0.7 -2,-0.4 -116,-0.3 -0.964 360.0 360.0-163.1 143.5 12.9 -16.7 -6.6 303 97 B G 0 0 0 -189,-2.0 -118,-1.9 -2,-0.3 -188,-0.2 0.365 360.0 360.0-134.1 360.0 16.4 -18.1 -6.4 304 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 305 432 C A 0 0 127 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -62.6 19.8 -2.0 33.4 306 433 C D + 0 0 90 2,-0.2 2,-2.6 1,-0.2 12,-0.0 0.182 360.0 79.1 -74.1-151.7 17.5 -1.3 30.4 307 434 C V S > S+ 0 0 5 1,-0.2 4,-2.1 11,-0.1 -1,-0.2 -0.405 105.6 51.6 70.7 -57.9 19.0 -0.7 27.0 308 435 C S H > S+ 0 0 55 -2,-2.6 4,-2.0 -3,-0.3 -1,-0.2 0.915 106.2 52.8 -61.0 -44.8 19.2 -4.5 27.2 309 436 C T H > S+ 0 0 75 -4,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.855 106.8 53.1 -64.2 -36.4 15.5 -4.4 28.1 310 437 C F H >4 S+ 0 0 4 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.991 107.0 50.9 -55.0 -60.5 14.9 -2.3 25.0 311 438 C L H 3< S+ 0 0 26 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.788 105.1 57.2 -52.2 -36.0 16.6 -4.9 22.8 312 439 C A H 3< S+ 0 0 62 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.910 132.3 5.6 -60.2 -43.5 14.5 -7.7 24.2 313 440 C F S << S- 0 0 156 -4,-1.4 -1,-0.2 -3,-1.1 -2,-0.2 -0.553 85.3-151.4-144.0 72.7 11.3 -5.9 23.2 314 441 C P + 0 0 38 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.113 23.3 165.2 -53.7 137.2 12.0 -2.8 21.2 315 442 C S > - 0 0 22 1,-0.1 4,-2.3 37,-0.0 5,-0.2 -0.977 46.0-123.3-148.1 149.4 9.4 0.1 21.4 316 443 C P H > S+ 0 0 26 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.846 114.5 52.6 -57.2 -36.6 9.5 3.8 20.4 317 444 C E H > S+ 0 0 104 2,-0.2 4,-1.1 1,-0.2 35,-0.0 0.949 108.1 47.6 -66.5 -51.4 8.6 4.6 24.0 318 445 C K H >> S+ 0 0 79 1,-0.2 4,-1.2 2,-0.2 3,-0.8 0.926 112.5 50.6 -56.7 -47.0 11.4 2.6 25.6 319 446 C L H 3< S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.3 3,-0.4 0.877 108.6 50.2 -58.8 -43.5 13.9 4.1 23.1 320 447 C L H 3< S+ 0 0 79 -4,-2.0 3,-0.3 1,-0.2 -1,-0.3 0.671 106.0 60.8 -69.9 -16.3 12.8 7.7 23.9 321 448 C R H << S+ 0 0 180 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.841 88.9 68.7 -75.5 -36.1 13.2 6.8 27.6 322 449 C L S < S- 0 0 19 -4,-1.2 3,-0.3 -3,-0.4 -1,-0.2 0.707 98.4-134.2 -64.0 -22.2 16.9 6.0 27.4 323 450 C G > - 0 0 28 -4,-0.4 3,-1.5 -3,-0.3 4,-0.2 -0.408 44.9 -52.5 95.9-176.0 17.9 9.7 26.7 324 451 C P T > S+ 0 0 121 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.811 132.8 73.0 -68.1 -23.1 20.3 11.0 24.1 325 452 C K T >> S+ 0 0 142 -3,-0.3 4,-2.3 1,-0.2 3,-0.8 0.727 71.4 89.7 -52.2 -28.7 22.7 8.5 25.6 326 453 C S H <> S+ 0 0 5 -3,-1.5 4,-2.0 1,-0.3 5,-0.3 0.795 77.7 61.5 -46.4 -41.4 20.6 5.7 23.9 327 454 C S H <> S+ 0 0 18 -3,-1.1 4,-1.8 -4,-0.2 -1,-0.3 0.951 114.6 30.9 -47.6 -59.1 22.8 5.9 20.8 328 455 C V H <> S+ 0 0 76 -3,-0.8 4,-3.0 -4,-0.3 5,-0.3 0.840 112.7 60.7 -79.7 -33.9 26.0 4.9 22.6 329 456 C L H X S+ 0 0 65 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.903 111.8 42.6 -57.8 -41.0 24.5 2.6 25.3 330 457 C I H X S+ 0 0 0 -4,-2.0 4,-1.0 -5,-0.3 -2,-0.2 0.946 115.1 49.2 -64.8 -50.9 23.2 0.4 22.5 331 458 C A H < S+ 0 0 3 -4,-1.8 3,-0.3 -5,-0.3 5,-0.3 0.844 112.9 46.0 -63.0 -39.7 26.4 0.6 20.4 332 459 C Q H < S+ 0 0 139 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.807 108.9 57.7 -70.2 -31.2 28.7 -0.2 23.3 333 460 C Q H < S+ 0 0 95 -4,-1.1 2,-0.4 -5,-0.3 -2,-0.2 0.696 92.9 77.5 -78.4 -20.2 26.4 -3.1 24.4 334 461 C T S < S- 0 0 13 -4,-1.0 2,-1.8 -3,-0.3 8,-0.1 -0.797 88.3-117.7 -98.3 133.3 26.6 -5.0 21.1 335 462 C D > - 0 0 70 -2,-0.4 3,-2.2 1,-0.2 7,-0.2 -0.456 32.5-170.9 -66.8 86.8 29.6 -7.2 20.2 336 463 C T T 3 S+ 0 0 14 -2,-1.8 41,-0.2 1,-0.3 -1,-0.2 0.323 75.0 72.4 -72.5 9.5 30.4 -5.1 17.1 337 464 C S T 3 S+ 0 0 49 1,-0.1 44,-0.3 43,-0.1 -1,-0.3 0.520 88.9 72.0 -91.2 -7.8 33.0 -7.6 16.0 338 465 C D <> - 0 0 53 -3,-2.2 4,-2.0 1,-0.1 3,-0.3 -0.925 66.8-159.0-115.5 110.3 30.2 -10.0 15.0 339 466 C P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.836 92.6 54.5 -58.6 -38.7 28.1 -9.2 11.9 340 467 C E H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.933 110.0 46.9 -60.0 -46.0 25.1 -11.3 13.0 341 468 C K H > S+ 0 0 105 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.871 112.4 50.3 -63.3 -37.2 24.9 -9.5 16.3 342 469 C V H X S+ 0 0 0 -4,-2.0 4,-2.7 -7,-0.2 -2,-0.2 0.892 109.2 50.7 -69.2 -39.4 25.2 -6.2 14.6 343 470 C V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.895 108.5 54.5 -59.5 -40.6 22.4 -7.1 12.2 344 471 C S H X S+ 0 0 55 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.969 111.5 41.7 -60.0 -55.3 20.3 -8.1 15.2 345 472 C A H X S+ 0 0 4 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.923 112.3 57.3 -54.4 -47.6 20.7 -4.7 16.9 346 473 C F H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.919 111.6 39.2 -52.8 -52.7 20.2 -3.0 13.6 347 474 C L H X S+ 0 0 17 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.908 114.2 54.2 -67.2 -44.3 16.8 -4.5 12.9 348 475 C K H < S+ 0 0 65 -4,-2.6 4,-0.3 -5,-0.3 3,-0.3 0.938 114.6 40.5 -51.2 -54.4 15.7 -4.2 16.6 349 476 C V H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.2 -2,-0.2 0.922 117.1 48.2 -63.0 -47.2 16.5 -0.5 16.6 350 477 C S H >< S+ 0 0 0 -4,-2.6 3,-1.3 -5,-0.3 -1,-0.2 0.659 95.9 74.8 -72.5 -15.2 15.1 0.1 13.1 351 478 C S T 3< S+ 0 0 67 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.674 93.8 52.3 -69.5 -17.9 11.9 -1.9 14.0 352 479 C V T < S+ 0 0 7 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.227 79.9 134.0-102.2 14.7 10.7 1.1 16.1 353 480 C F < + 0 0 13 -3,-1.3 2,-0.3 10,-0.1 57,-0.2 -0.413 28.3 170.0 -66.1 135.9 11.1 3.6 13.3 354 481 C K - 0 0 98 2,-0.3 2,-1.5 -2,-0.1 6,-0.2 -0.988 48.5-104.0-147.7 146.3 8.2 6.0 12.9 355 482 C D S S+ 0 0 111 -2,-0.3 2,-0.2 4,-0.1 -2,-0.0 -0.657 84.0 112.9 -71.0 95.5 7.4 9.1 10.9 356 483 C E S > S- 0 0 80 -2,-1.5 4,-3.5 1,-0.1 5,-0.3 -0.751 71.5-127.6-177.1 117.5 7.7 11.2 14.0 357 484 C A H > S+ 0 0 82 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.842 104.3 39.4 -47.5 -55.1 10.5 13.7 14.5 358 485 C T H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 120.3 44.7 -68.2 -41.5 11.8 12.6 17.9 359 486 C V H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.922 113.3 50.4 -68.9 -45.4 11.6 8.9 17.2 360 487 C R H X S+ 0 0 112 -4,-3.5 4,-2.2 -6,-0.2 5,-0.2 0.935 111.8 48.2 -55.6 -50.0 13.0 9.2 13.7 361 488 C M H X S+ 0 0 119 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.915 113.2 48.3 -58.5 -44.1 16.0 11.1 15.0 362 489 C A H X S+ 0 0 13 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.923 110.2 49.9 -63.3 -47.2 16.6 8.6 17.8 363 490 C V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.931 113.9 45.1 -59.8 -47.0 16.4 5.5 15.6 364 491 C Q H X S+ 0 0 23 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.794 110.0 56.1 -64.7 -30.8 18.9 7.0 13.1 365 492 C D H X S+ 0 0 66 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.868 109.3 45.8 -72.1 -36.5 21.1 8.1 16.0 366 493 C A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 3,-0.3 0.999 111.3 51.7 -64.1 -66.1 21.3 4.6 17.3 367 494 C V H X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 5,-0.3 0.815 113.0 46.6 -34.1 -50.0 22.0 3.1 13.8 368 495 C D H X S+ 0 0 25 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.941 111.8 47.8 -65.7 -48.9 24.8 5.6 13.3 369 496 C A H X S+ 0 0 24 -4,-2.1 4,-1.4 -3,-0.3 -2,-0.2 0.924 119.3 43.0 -58.5 -44.9 26.5 5.1 16.7 370 497 C L H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 3,-0.3 0.981 118.1 41.0 -61.3 -63.5 26.2 1.4 16.1 371 498 C M H X S+ 0 0 0 -4,-3.5 4,-2.9 1,-0.3 5,-0.3 0.848 111.2 56.0 -62.8 -38.4 27.3 1.2 12.5 372 499 C Q H X S+ 0 0 104 -4,-3.2 4,-0.8 -5,-0.3 -1,-0.3 0.905 110.4 47.5 -57.6 -40.8 30.1 3.8 12.9 373 500 C K H < S+ 0 0 74 -4,-1.4 4,-0.3 -5,-0.3 -2,-0.2 0.895 114.3 48.1 -63.4 -40.5 31.4 1.5 15.6 374 501 C A H >< S+ 0 0 0 -4,-2.0 3,-3.1 1,-0.2 6,-0.3 0.994 111.4 45.4 -66.5 -62.6 31.0 -1.5 13.3 375 502 C F H 3< S+ 0 0 37 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.656 112.1 57.1 -55.5 -16.6 32.6 -0.1 10.2 376 503 C N T 3< S+ 0 0 129 -4,-0.8 2,-0.3 -5,-0.3 -1,-0.3 0.513 87.0 95.0 -92.8 -8.3 35.4 1.1 12.5 377 504 C S X - 0 0 29 -3,-3.1 3,-0.7 -4,-0.3 -3,-0.0 -0.684 65.8-149.8 -85.5 135.7 36.2 -2.4 13.9 378 505 C S T 3 S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.2 -41,-0.1 0.637 99.3 54.5 -79.3 -12.8 39.0 -4.3 12.2 379 506 C S T 3 S+ 0 0 83 -5,-0.1 2,-0.8 -43,-0.1 -1,-0.2 0.518 85.5 105.8 -91.4 -7.9 37.2 -7.6 13.0 380 507 C F < - 0 0 18 -3,-0.7 2,-0.9 -6,-0.3 -42,-0.1 -0.669 57.0-157.4 -88.4 108.7 34.0 -6.5 11.3 381 508 C N > - 0 0 83 -2,-0.8 4,-1.5 -44,-0.3 3,-0.2 -0.738 6.1-170.8 -78.4 104.0 33.3 -8.1 8.0 382 509 C S H > S+ 0 0 25 -2,-0.9 4,-2.4 1,-0.2 5,-0.2 0.863 83.3 59.9 -68.6 -33.9 30.9 -5.6 6.3 383 510 C N H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 106.0 47.1 -55.4 -42.0 30.2 -8.0 3.5 384 511 C T H > S+ 0 0 57 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.843 108.4 56.8 -72.7 -32.5 28.9 -10.6 6.0 385 512 C F H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.952 109.1 44.7 -59.9 -50.6 26.8 -7.9 7.6 386 513 C L H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.909 114.7 48.9 -59.2 -45.1 25.1 -7.0 4.3 387 514 C T H X S+ 0 0 67 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.935 114.9 44.0 -61.5 -46.7 24.5 -10.7 3.5 388 515 C R H X S+ 0 0 40 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.846 112.0 53.9 -71.8 -31.2 23.1 -11.4 7.0 389 516 C L H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.936 111.5 43.8 -63.0 -48.8 21.0 -8.2 6.9 390 517 C L H <>S+ 0 0 4 -4,-2.6 5,-3.7 1,-0.2 6,-0.9 0.829 111.1 54.8 -71.6 -30.0 19.4 -9.2 3.6 391 518 C V H ><5S+ 0 0 2 -4,-1.9 3,-0.7 4,-0.2 -1,-0.2 0.890 110.5 46.9 -65.7 -36.5 18.9 -12.8 4.8 392 519 C H H 3<5S+ 0 0 33 -4,-1.6 13,-1.6 1,-0.3 -2,-0.2 0.798 108.2 53.1 -79.7 -27.7 17.1 -11.4 7.8 393 520 C M T 3<5S- 0 0 4 -4,-1.8 -1,-0.3 11,-0.2 -2,-0.2 0.435 118.9-114.7 -81.5 -3.7 14.9 -9.0 5.8 394 521 C G T < 5S+ 0 0 22 -3,-0.7 -3,-0.2 -4,-0.2 48,-0.2 0.814 86.6 116.1 74.4 32.1 14.0 -12.1 3.8 395 522 C L S + 0 0 6 -2,-0.4 4,-3.9 34,-0.3 5,-0.3 0.559 59.5 93.6 -99.2 -9.3 10.6 -3.6 6.2 409 536 C Y H > S+ 0 0 47 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.936 92.0 41.5 -50.4 -59.6 9.7 0.1 6.4 410 537 C G H >> S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 3,-0.5 0.973 118.1 46.3 -50.3 -66.6 11.8 0.8 9.4 411 538 C P H 3> S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.869 113.6 49.7 -41.8 -48.9 14.7 -1.3 8.1 412 539 C L H 3X S+ 0 0 2 -4,-3.9 4,-2.0 1,-0.2 -2,-0.2 0.860 112.5 47.1 -64.6 -37.4 14.5 0.3 4.7 413 540 C M H < S+ 0 0 0 -4,-2.5 3,-2.4 1,-0.2 6,-0.4 0.948 102.7 54.3 -68.0 -53.8 23.0 4.7 6.7 419 546 C V T 3< S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.775 106.3 56.1 -50.1 -32.7 24.2 4.5 3.1 420 547 C Q T 3 S+ 0 0 102 -4,-0.5 -1,-0.3 -5,-0.3 2,-0.2 0.447 87.2 101.9 -81.9 -6.9 24.3 8.4 3.0 421 548 C Q S X S- 0 0 58 -3,-2.4 3,-1.6 -4,-0.2 -3,-0.0 -0.594 78.6-122.8 -90.2 146.3 26.6 8.7 6.0 422 549 C D T 3 S+ 0 0 164 1,-0.3 4,-0.2 -2,-0.2 -1,-0.1 0.881 109.0 60.9 -45.4 -45.9 30.3 9.5 5.9 423 550 C Y T 3 S+ 0 0 33 2,-0.1 -1,-0.3 3,-0.0 -4,-0.1 0.747 82.2 101.3 -60.6 -25.2 31.1 6.3 7.9 424 551 C F S < S- 0 0 5 -3,-1.6 2,-0.8 -6,-0.4 5,-0.1 -0.420 79.4-122.0 -69.9 125.7 29.6 4.0 5.2 425 552 C P > - 0 0 44 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.581 18.2-152.4 -67.0 106.5 32.1 2.3 2.9 426 553 C K T > S+ 0 0 148 -2,-0.8 3,-2.2 1,-0.3 34,-0.1 0.787 88.2 74.5 -55.1 -30.9 30.9 3.5 -0.5 427 554 C A T 3> S+ 0 0 89 1,-0.3 4,-0.5 2,-0.1 -1,-0.3 0.807 90.5 58.2 -50.0 -33.0 32.3 0.3 -2.1 428 555 C L H <> S+ 0 0 10 -3,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.624 86.2 82.6 -74.8 -14.4 29.3 -1.6 -0.6 429 556 C A H <> S+ 0 0 3 -3,-2.2 4,-2.2 -4,-0.3 -1,-0.2 0.947 87.7 46.9 -61.0 -57.3 26.7 0.6 -2.3 430 557 C P H > S+ 0 0 86 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.876 111.9 54.7 -52.5 -41.0 26.6 -1.1 -5.8 431 558 C L H < S+ 0 0 84 -4,-0.5 3,-0.5 1,-0.2 4,-0.3 0.932 109.7 44.6 -55.0 -52.2 26.4 -4.5 -4.1 432 559 C L H >X S+ 0 0 1 -4,-2.0 3,-1.3 1,-0.2 4,-0.7 0.828 105.6 63.3 -66.8 -33.9 23.4 -3.5 -2.0 433 560 C L H >X S+ 0 0 38 -4,-2.2 4,-0.9 1,-0.3 3,-0.9 0.872 95.4 59.6 -56.2 -41.9 21.7 -1.9 -5.0 434 561 C A H 3X S+ 0 0 59 -4,-1.4 4,-0.5 -3,-0.5 -1,-0.3 0.579 108.1 44.0 -70.3 -11.1 21.5 -5.2 -6.8 435 562 C F H <4 S+ 0 0 74 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.453 104.0 61.9-111.3 -5.3 19.3 -6.8 -4.0 436 563 C V H << S+ 0 0 3 -3,-0.9 -2,-0.2 -4,-0.7 -3,-0.1 0.614 106.7 52.2 -85.8 -18.2 17.0 -3.8 -3.6 437 564 C T H >< S+ 0 0 81 -4,-0.9 3,-0.6 2,-0.1 -2,-0.1 0.903 72.6 99.7 -77.9 -91.4 16.0 -4.4 -7.2 438 565 C K T 3< S- 0 0 50 -4,-0.5 2,-2.1 1,-0.2 -137,-0.1 0.500 91.3-100.9 -8.9 111.0 14.9 -8.1 -7.8 439 566 C P T 3 + 0 0 30 0, 0.0 2,-0.3 0, 0.0 -138,-0.3 -0.111 58.0 170.8 -49.2 69.3 11.1 -8.1 -7.8 440 567 C N X> - 0 0 12 -2,-2.1 4,-1.3 -3,-0.6 3,-0.9 -0.672 36.5-130.6 -85.3 140.8 10.6 -9.4 -4.2 441 568 C S H >> S+ 0 0 58 -2,-0.3 4,-0.6 -328,-0.3 3,-0.5 0.928 103.0 53.7 -55.1 -56.6 7.1 -9.3 -2.7 442 569 C A H 34 S+ 0 0 40 1,-0.2 -34,-0.3 2,-0.2 -1,-0.2 0.652 106.8 55.7 -60.1 -16.3 7.9 -7.7 0.7 443 570 C L H X4 S+ 0 0 0 -3,-0.9 3,-2.5 1,-0.2 7,-0.3 0.896 96.9 59.4 -82.3 -42.3 9.6 -4.8 -1.2 444 571 C E H X< S+ 0 0 67 -4,-1.3 3,-0.5 -3,-0.5 -2,-0.2 0.565 96.4 65.6 -65.1 -7.4 6.6 -3.8 -3.4 445 572 C S T 3< S+ 0 0 100 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.617 107.6 40.5 -84.6 -16.6 4.8 -3.2 -0.1 446 573 C C T <> S+ 0 0 19 -3,-2.5 4,-2.7 1,-0.1 -1,-0.2 -0.490 70.1 154.8-125.3 61.7 7.2 -0.4 0.6 447 574 C S H <> S+ 0 0 73 -3,-0.5 4,-3.4 1,-0.2 5,-0.2 0.922 73.3 50.8 -50.3 -53.6 7.5 1.2 -2.9 448 575 C F H > S+ 0 0 110 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.936 112.8 41.7 -49.3 -64.2 8.4 4.6 -1.5 449 576 C A H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.915 116.8 50.3 -57.0 -44.9 11.2 3.5 0.8 450 577 C R H X S+ 0 0 35 -4,-2.7 4,-2.3 -7,-0.3 -1,-0.2 0.956 116.6 40.8 -54.1 -52.9 12.5 1.1 -1.9 451 578 C H H X S+ 0 0 109 -4,-3.4 4,-1.7 2,-0.2 -2,-0.2 0.807 114.4 52.7 -66.2 -34.1 12.4 4.0 -4.4 452 579 C S H X S+ 0 0 32 -4,-3.6 4,-1.3 -5,-0.2 -1,-0.2 0.913 112.6 45.7 -66.9 -42.0 13.8 6.5 -1.8 453 580 C L H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.857 108.2 54.5 -70.2 -40.6 16.7 4.1 -1.1 454 581 C L H X S+ 0 0 27 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.938 106.8 52.6 -61.4 -44.8 17.4 3.3 -4.8 455 582 C Q H X S+ 0 0 71 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.853 108.2 51.5 -56.8 -41.6 17.8 7.1 -5.4 456 583 C T H >X S+ 0 0 11 -4,-1.3 4,-0.7 1,-0.2 3,-0.7 0.962 107.9 50.7 -59.8 -54.5 20.2 7.4 -2.6 457 584 C L H >< S+ 0 0 8 -4,-2.3 3,-0.6 1,-0.3 -2,-0.2 0.827 107.6 53.8 -57.7 -37.0 22.5 4.5 -3.8 458 585 C Y H 3< S+ 0 0 144 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.897 114.9 41.6 -58.1 -40.4 22.7 6.0 -7.3 459 586 C K H << 0 0 145 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.440 360.0 360.0 -91.6 -4.2 23.8 9.3 -5.9 460 587 C V << 0 0 67 -4,-0.7 -3,-0.1 -3,-0.6 -40,-0.1 0.391 360.0 360.0-134.4 360.0 26.3 8.0 -3.3